Chemical Compound

SCHEMBL29941625

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SCHEMBL29941625 chemical structure
Primary Record

SCHEMBL29941625

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
5288793
SMILES
CCCCC[C@@H](C/C=C/C(=O)SCCNC(=O)CCNC(C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[N+]2=CNC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)SCC=O
Canonical SMILES
CCCCC[C@@H](C/C=C/C(=O)SCCNC(=O)CCNC(O)C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H]([n+]2c[nH]c3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)SCC=O

Names & Synonyms

  • SCHEMBL29941625
  • 5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A
  • 6-amino-9-{(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-[(3R,5S,10R,20E,23S)-3,5,10-trihydroxy-8,8-dimethyl-3,5-dioxido-9,14,19,26-tetraoxo-23-pentyl-2,4,6-trioxa-18,24-dithia-11,15-diaza-3,5-diphosphahexacos-20-en-1-yl]tetrahydrofuran-2-yl}-7H-purin-9-ium (non-preferred name)
  • MDE